CID 105245

Diisobutyl-o-cresol

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC1=CC(=CC(=C1O)CC(C)C)CC(C)C

InChI

InChI=1S/C15H24O/c1-10(2)6-13-8-12(5)15(16)14(9-13)7-11(3)4/h8-11,16H,6-7H2,1-5H3

InChIKey

SOGRWPBNEICCRE-UHFFFAOYSA-N

Compound name

2-methyl-4,6-bis(2-methylpropyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 220.18271 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.18999	153.4
[M+Na]+	243.17193	160.2
[M-H]-	219.17543	155.8
[M+NH4]+	238.21653	172.0
[M+K]+	259.14587	157.5
[M+H-H2O]+	203.17997	148.0
[M+HCOO]-	265.18091	172.7
[M+CH3COO]-	279.19656	194.1
[M+Na-2H]-	241.15738	153.4
[M]+	220.18216	155.0
[M]-	220.18326	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe